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162214420 molecular structure
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N-[(1Z)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine

ChemBase ID: 120067
Molecular Formular: C12H12N2O
Molecular Mass: 200.23648
Monoisotopic Mass: 200.09496301
SMILES and InChIs

SMILES:
c12[nH]c3c(c1CCC/C/2=N/O)cccc3
Canonical SMILES:
O/N=C\1/CCCc2c1[nH]c1c2cccc1
InChI:
InChI=1S/C12H12N2O/c15-14-11-7-3-5-9-8-4-1-2-6-10(8)13-12(9)11/h1-2,4,6,13,15H,3,5,7H2/b14-11-
InChIKey:
KQJSIMCYBGAJEF-KAMYIIQDSA-N

Cite this record

CBID:120067 http://www.chembase.cn/molecule-120067.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1Z)-2,3,4,9-tetrahydro-1H-carbazol-1-ylidene]hydroxylamine
IUPAC Traditional name
N-[(1Z)-2,3,4,9-tetrahydrocarbazol-1-ylidene]hydroxylamine
Synonyms
(Z)-2,3,4,9-tetrahydro-1H-carbazol-1-one oxime
PubChem SID
162214420
PubChem CID
5348229

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 5348229 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.673278  H Acceptors
H Donor LogD (pH = 5.5) 2.3082721 
LogD (pH = 7.4) 2.3093514  Log P 2.3093677 
Molar Refractivity 59.1124 cm3 Polarizability 23.52476 Å3
Polar Surface Area 48.38 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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